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2,5-Cyclohexadiene-1,4-dione, 2,5-bis(octylamino)-3,6-diphenoxy-
SpectraBase Compound ID 9lGVs7Lrvk8
InChI InChI=1S/C34H46N2O4/c1-3-5-7-9-11-19-25-35-29-31(37)34(40-28-23-17-14-18-24-28)30(36-26-20-12-10-8-6-4-2)32(38)33(29)39-27-21-15-13-16-22-27/h13-18,21-24,35-36H,3-12,19-20,25-26H2,1-2H3
InChIKey ASJYSZLEGSSHIX-UHFFFAOYSA-N
Mol Weight 546.8 g/mol
Molecular Formula C34H46N2O4
Exact Mass 546.345758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9mX9cc0NTj
Name 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(octylamino)-3,6-diphenoxy-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H46N2O4
InChI InChI=1S/C34H46N2O4/c1-3-5-7-9-11-19-25-35-29-31(37)34(40-28-23-17-14-18-24-28)30(36-26-20-12-10-8-6-4-2)32(38)33(29)39-27-21-15-13-16-22-27/h13-18,21-24,35-36H,3-12,19-20,25-26H2,1-2H3
InChIKey ASJYSZLEGSSHIX-UHFFFAOYSA-N
Molecular Weight 546.752 g/mol
SMILES N(CCCCCCCC)C1=C(C(C(=C(C1=O)Oc1ccccc1)NCCCCCCCC)=O)Oc1ccccc1
SPLASH splash10-052e-9437480000-2b67319ff72c389bf4e6
Source of Spectrum JX-2015-4-1151
Synonyms 2,5-Bis(octylamino)-3,6-diphenoxycyclohexa-2,5-diene-1,4-dione 2,5-Bis(octylamino)-3,6-diphenoxy-1,4-benzoquinone 2,5-Bis(octylamino)-3,6-diphenoxy-cyclohexa-2,5-diene-1,4-dione
Wiley ID 1726545